propan-2-yl 4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: propan-2-yl 4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: isopropyl 4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazine-1-carboxylic acid isopropyl ester Formula: C23H32N6O3S MolecularWeight: 472.60358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SC)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC(C)OC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SC)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H32N6O3S/c1-17(2)32-23(30)29-10-8-28(9-11-29)21-16-20(25-22(26-21)33-3)24-18-4-6-19(7-5-18)27-12-14-31-15-13-27/h4-7,16-17H,8-15H2,1-3H3,(H,24,25,26)